3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide

C16H15N3O2S2 — CID 110446641

IUPAC3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1C
InChIInChI=1S/C16H15N3O2S2/c1-11-5-6-14(8-12(11)2)23(20,21)19-16-18-15(10-22-16)13-4-3-7-17-9-13/h3-10H,1-2H3,(H,18,19)
InChIKeyOIRCNXWYJBRKSH-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.62
Rot. Bonds4

About 3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide

3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 110446641) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID110446641
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1C
InChIInChI=1S/C16H15N3O2S2/c1-11-5-6-14(8-12(11)2)23(20,21)19-16-18-15(10-22-16)13-4-3-7-17-9-13/h3-10H,1-2H3,(H,18,19)
InChIKeyOIRCNXWYJBRKSH-UHFFFAOYSA-N
XLogP3.62
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane
CID 90842938
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 110440548
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203685
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 7510361
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552
3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784254
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 43853538
3,4-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122416
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1359200

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 110446641) is 3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is OIRCNXWYJBRKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-11-5-6-14(8-12(11)2)23(20,21)19-16-18-15(10-22-16)13-4-3-7-17-9-13/h3-10H,1-2H3,(H,18,19).
What are the key properties of 3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide?
3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 110446641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).